General Information of the Compound
Compound ID |
CP0553182
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Compound Name |
4-(3-oxo-7-phenyl-1-sulfanylidene-4,5-dihydro-3aH-imidazo[1,5-a]quinolin-2-yl)-2-(trifluoromethyl)benzonitrile
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Formula |
C25H16F3N3OS
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Molecular Weight |
463.484
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Canonical SMILES |
FC(F)(F)c1cc(ccc1C#N)N1C(=O)C2CCc3cc(ccc3N2C1=S)-c1ccccc1
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InChI |
InChI=1S/C25H16F3N3OS/c26-25(27,28)20-13-19(9-6-18(20)14-29)30-23(32)22-11-8-17-12-16(15-4-2-1-3-5-15)7-10-21(17)31(22)24(30)33/h1-7,9-10,12-13,22H,8,11H2
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InChIKey |
HORCMMGNKCCRAI-UHFFFAOYSA-N
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Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound